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	hartrees
Energy at 0K	-132.414429
Energy at 298.15K	-132.416558
HF Energy	-131.897804
Nuclear repulsion energy	59.344751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3584	3396	15.77
2	A'	3518	3333	75.79
3	A'	2259	2140	82.62
4	A'	1670	1583	33.37
5	A'	1070	1014	11.31
6	A'	733	694	234.00
7	A'	525	498	87.21
8	A'	407	386	9.63
9	A"	3677	3484	26.58
10	A"	1229	1164	0.37
11	A"	656	622	40.43
12	A"	311	294	5.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.060	1.367	0.000
C2	0.000	0.164	0.000
N3	0.043	-1.199	0.000
H4	0.054	2.427	0.000
H5	-0.359	-1.606	0.831
H6	-0.359	-1.606	-0.831

	C1	C2	N3	H4	H5	H6
C1		1.2043	2.5659	1.0603	3.1152	3.1152
C2	1.2043		1.3637	2.2637	1.9881	1.9881
N3	2.5659	1.3637		3.6262	1.0091	1.0091
H4	1.0603	2.2637	3.6262		4.1385	4.1385
H5	3.1152	1.9881	1.0091	4.1385		1.6623
H6	3.1152	1.9881	1.0091	4.1385	1.6623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.314	C2	C1	H4	176.783
C2	N3	H5	112.986	C2	N3	H6	112.986
H5	N3	H6	110.914

All results from a given calculation for HCCNH₂ (Ethynamine)

using model chemistry: CCSD=FULL/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for HCCNH2 (Ethynamine)

using model chemistry: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for HCCNH₂ (Ethynamine)